Molecular Details
DICL_CP_0333080
- N-(3-benzamidophenyl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0333080
PubChem CID
Molecular Formula
C20H16N2O2 Molecular Weight
316.36 g/mol
Synonyms/Alias
[N-(3-benzamidophenyl)benzamide; 17223-18-6; N;N-(1;3-Phenylene)bisbenzamide; CHEMBL3186489; N;N-(1;3-Phenylene)dibenzamide; N;N/-(1;3-Phenylene)bisbenzamide; N-(3-(BENZOYLAMINO)PHENYL)BENZAMIDE; N-[3...
InChI Key
SDLHRUDTCAGBLQ-UHFFFAOYSA-N
InChI
InChI=1S/C20H16N2O2/c23-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22-20(24)16-10-5-2-6-11-16/h1-14H,...
IUPAC Name
N-(3-benzamidophenyl)benzamide
CAS Number
368449-04-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 26 0 0 0 0 0 0 0 0999 V2000
-6.9395 -2.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2631 -0.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1565 0...
Experimental Data
Activity Data
Target Ion Channel
Two-pore domain potassium channel subfamily K member 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 21 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 5.8
Holding Potential
Not specified
Temperature
23 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
4
logP
4.1912
Complexity
95.2324
TPSA (Ų)
58.2
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
3